Glycoside
...
GD036842

Name:
None

Formula:
C47H46O10N8

Smiles:
O=[N+]([O-])c1cccc(Cn2cc(COC[C@@H]3O[C@H](OCc4cn(Cc5cccc([N+](=O)[O-])c5)nn4)[C@H](OCc4ccccc4)[C@H](OCc4ccccc4)[C@H]3OCc3ccccc3)nn2)c1

Aglycone:
COCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1.O=[N+]([O-])c1cccc(Cn2cc(CO)nn2)c1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 0 FractionCSP3: 0.28
AlogP: 7.0 Num_rotatable_bonds: 22
MolWt: 882.93 Num_heavy_atoms: 65
TPSA: 203.08 NumAromaticRings: 7

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD23235
Formula: C11H12O3N4

Smiles:
COCc1cn(Cc2cccc([N+](=O)[O-])c2)nn1
HBA: 7 RingCount: 2
HBD: 0 FractionCSP3: 0.27
AlogP: 1.38 Num_rotatable_bonds: 5
MolWt: 248.24 Num_heavy_atoms: 18
TPSA: 83.08 NumAromaticRings: 2
AD23236
Formula: C10H10O3N4

Smiles:
O=[N+]([O-])c1cccc(Cn2cc(CO)nn2)c1
HBA: 7 RingCount: 2
HBD: 1 FractionCSP3: 0.2
AlogP: 0.73 Num_rotatable_bonds: 4
MolWt: 234.21 Num_heavy_atoms: 17
TPSA: 94.08 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O